N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C10H11F2N3O3S — CID 103770244

IUPACN-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H11F2N3O3S/c11-7(12)6(16)4-13-8(17)5-3-14-10-15(9(5)18)1-2-19-10/h3,6-7,16H,1-2,4H2,(H,13,17)
InChIKeySHLSKACAHMYEND-UHFFFAOYSA-N
MW291.28 g/mol
LogP-0.30
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 103770244) has the molecular formula C10H11F2N3O3S and a molecular weight of 291.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID103770244
Molecular FormulaC10H11F2N3O3S
Molecular Weight291.28 g/mol
Exact Mass291.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCC(O)C(F)F)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C10H11F2N3O3S/c11-7(12)6(16)4-13-8(17)5-3-14-10-15(9(5)18)1-2-19-10/h3,6-7,16H,1-2,4H2,(H,13,17)
InChIKeySHLSKACAHMYEND-UHFFFAOYSA-N
XLogP-0.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 103770244) is N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCC(O)C(F)F)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SHLSKACAHMYEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3S/c11-7(12)6(16)4-13-8(17)5-3-14-10-15(9(5)18)1-2-19-10/h3,6-7,16H,1-2,4H2,(H,13,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 291.28 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 103770244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).